1,2-(E)-bis(4'-(oct-1''-ynyl)phenyl)ethene | 379737-94-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1,2-(E)-bis(4'-(oct-1''-ynyl)phenyl)ethene
• 英文别名: 1,2-(E)-bis(4(oct-1'-ynyl)-1-phenyl)ethene；1-oct-1-ynyl-4-[(E)-2-(4-oct-1-ynylphenyl)ethenyl]benzene
• CAS: 379737-94-7
• 化学式: C₃₀H₃₆
• 分子量: 396.616
• InChiKey: INQBSLSXGFLUHG-OCEACIFDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  30
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,2-(E)-bis(4'-(oct-1''-ynyl)phenyl)ethene 、 W2Ir2(CO)10(η5-C5H4Me)2 以 二氯甲烷 为溶剂， 以6%的产率得到W3Ir3(μ4-η2-CO)(μ-CO)(CO)10(η-C5H4Me)3
  参考文献：
  名称：

  Mixed-metal cluster chemistry.

  摘要：

  Heating a mixture of W2Ir2(CO)(10)(eta -C5H4Me)(2) and 1,2-(E)-bis{4'-(oct-1"-ynyl)phenyl}ethene in refluxing CH2Cl2 affords a complex mixture from which W3Ir3(mu (4)-eta (2)-CO)(mu -CO)(CO)(10)(eta -C5H4Me)(3) can be separated in low yield. The crystallographically characterized title cluster is the first hexametallic Group 6-Group 9 mixed-metal cluster, possesses an unusual edge-bridged trigonal bipyramidal core geometry, and has a mu (4)-eta (2)-CO ligand which has the longest carbonyl CO bond thus far. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01048-8

文献信息

• Mixed-Metal Cluster Chemistry. 21. Synthesis and Crystallographic and Electrochemical Studies of Alkyne-Coordinated Group 6−Iridium Clusters Linked by Phenylenevinylene Groups
  作者：Nigel T. Lucas、Eleni G. A. Notaras、Marie P. Cifuentes、Mark G. Humphrey

  DOI：10.1021/om020203r

  日期：2003.1.1

  5-C6H3[(E)-CHCHC6H4-4‘-C2(CH2)5Me]3} (25), and W2Ir2(μ4-η2-R1C2R2)(μ-CO)4(CO)4(η5-C5H4Me)2 (R1 = n-hexyl, R2 = 4-C6H4C⋮C(CH2)5Me (21); R1 = H, R2 = (CH2)2C⋮CH (26)). Compounds 18−20 and 22−25 contain two or three cluster units linked by unsaturated bridges, while 27 contains two cluster units linked by a saturated bridge. Compound 22 was prepared in lower yield by coupling 16 and 17 under Emmons−Horner conditions

  所述pseudooctahedral monocluster物M 2的Ir 2（μ 4 -η 2 -R 1 c ^ 2 - [R 2）（μ-CO）4（CO）4（η 5 -C 5 H ^ 4 Me）的2（M =钼，R 2 = Ph，R 1 = H（12），Ph（13），Me（14）; M = W，R 2 = Ph，R 1 = Me（15）; M = Mo，R 1 = n-己基，R 2 =碳6 H由四面体簇化合物M 2 Ir 2（CO）10（η ）之间的反应制备了4 -4-CHO（16），C 6 H 4 -4-CH 2 P（O）（OEt）2（17））。5 -C 5 H 4 Me）2和炔烃R 1 C 2 R 2。四面体簇前体和二-或三炔之间的类似反应已经得到相关化合物[M 2的Ir 2（μ-CO）4（CO）4（η 5-C 5 ħ 4 R）2 ] 2（μ 8 -η 4 -R 1 c ^ 2 BC 2